2-[1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)furan-3-one; 2-butyl-3-ethyl-quinolin-4-amine

Systemtic Name: 2-[1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)furan-3-one; 2-butyl-3-ethyl-quinolin-4-amine Openeye Name: 2-butyl-3-ethyl-quinolin-4-amine; 2-(1,2-dihydroxyethyl)-4,5-dihydroxy-furan-3-one CAS Name: 2-butyl-3-ethyl-4-quinolinamine; 2-(1,2-dihydroxyethyl)-4,5-dihydroxy-3-furanone IUPAC Name: 2-butyl-3-ethylquinolin-4-amine; 2-(1,2-dihydroxyethyl)-4,5-dihydroxyfuran-3-one Traditional Name: (2-butyl-3-ethyl-4-quinolyl)amine; 2-(1,2-dihydroxyethyl)-4,5-dihydroxy-furan-3-one Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2C(=C1CC)N.C(C(C1C(=O)C(=C(O1)O)O)O)O

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2C(=C1CC)N.C(C(C1C(=O)C(=C(O1)O)O)O)O

InChI

InChI=1S/C15H20N2.C6H8O6/c1-3-5-9-13-11(4-2)15(16)12-8-6-7-10-14(12)17-13;7-1-2(8)5-3(9)4(10)6(11)12-5/h6-8,10H,3-5,9H2,1-2H3,(H2,16,17);2,5,7-8,10-11H,1H2